SCHEMBL25910352

SCHEMBL25910352

CN1C2CCC1CN(C(=O)[C@@H]1N[C@H]1C1CC1)C2

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 18/20 0.33
CHRNA3 P32297 18/20 0.33
CHRNA4 P43681 18/20 0.33
CHRNB3 Q05901 13/20 0.33
CHRNA6 Q15825 13/20 0.33
CHRNB4 P30926 5/20 0.33
CHRNA7 P36544 5/20 0.33
HSD11B1 P28845 1/20 0.32
HSD11B2 P80365 1/20 0.32
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25910517 0.83 CHRNB2 (0.33) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25911030 0.78
SCHEMBL25910504 0.78 HRH3 (0.35) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25911012 0.78 CHRNB2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25909867 0.73
SCHEMBL25910098 0.73
SCHEMBL25910081 0.73
SCHEMBL21891883 0.72 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25910100 0.72 HRH3 (0.43)
SCHEMBL25909959 0.72 HRH3 (0.43)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023141300-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-07-27 WO disclosed